SCHEMBL9760642

SCHEMBL9760642

COc1cc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
MAPT P10636 4/20 0.62
TDP1 Q9NUW8 3/20 0.54
LMNA P02545 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 2/20 0.51
FFAR4 Q5NUL3 1/20 0.50
CYP2C9 P11712 1/20 0.47
CYP19A1 P11511 1/20 0.47
NFKBIA P25963 1/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14877793 0.83 MAPT (0.67) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL6831954 0.81 MAPT (0.71) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL2367787 0.79 MAPT (0.61) ALDH1A1MAPTTDP1LMNAPOLB
SCHEMBL8752515 0.76 ALDH1A1 (0.68) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL8752466 0.75 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5956190 0.75 ALDH1A1 (0.55) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL6553178 0.75 MAPT (0.64) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL6554678 0.75 MAPT (0.64) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL11876774 0.75 MAPT (0.56) ALDH1A1MAPTTDP1LMNAPOLB
SCHEMBL6553599 0.75 MAPT (0.64) ALDH1A1MAPTTDP1LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed